Molecule FYI-1016529

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A

Molecule Summary:

ID: FYI-1016529
Names:
InChIKey: VJAOOYKNHCLNEP-UHFFFAOYSA-N
SMILES: CC(C)CCCCC2(C)CCc1cc(CO)cnc1O2

Received at FYIcenter.com on: 2026-01-17

Molecule ID: FYI-1016529 Edit

Molecule Structure InChIKey: VJAOOYKNHCLNEP-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)CCCCC2(C)CCc1cc(CO)cnc1O2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016529
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17  8  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19  6  1  0  0  0  0
 20 19  2  0  0  0  0
 20  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016529-3D
FYIcenter.com

 47 48  0  0  1  0  0  0  0  0999 V2000
    9.5445   -0.2844    2.7932 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2955   -0.0503    1.9385 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8572    1.4101    2.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5921   -0.4624    0.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4123   -0.3060   -0.4771 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8295   -0.7952   -1.8652 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7078   -0.6763   -2.9015 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1053   -1.1758   -4.3207 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8724   -0.9963   -5.2334 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5890   -2.6356   -4.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9857   -3.1411   -5.6293 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7455   -2.0887   -6.3758 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3590   -2.4043   -7.5892 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0430   -1.4209   -8.3045 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6468   -1.6880   -9.6516 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1302   -3.0222   -9.7558 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0654   -0.1431   -7.7573 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4738    0.1978   -6.5893 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8086   -0.7713   -5.9309 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692   -0.3324   -4.7978 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3530   -0.0320    3.8434 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3840    0.3275    2.4457 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8532   -1.3347    2.7539 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4903   -0.6841    2.3296 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5939    2.0808    1.5967 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7363    1.6995    3.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8947    1.5738    1.5579 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9084   -1.5149    0.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4432    0.1171    0.1097 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0990    0.7412   -0.5413 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5560   -0.8878   -0.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1380   -1.8401   -1.7645 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7024   -0.2255   -2.2044 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4140    0.3802   -2.9630 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8308   -1.2345   -2.5489 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0562   -1.6629   -4.9381 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0988   -1.1849   -6.2885 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5112    0.0373   -5.1943 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8396   -3.2917   -3.8055 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4946   -2.6959   -3.6342 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0921   -3.4157   -6.1993 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6002   -4.0420   -5.5173 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2822   -3.4147   -7.9874 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4912   -1.0181   -9.8411 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8944   -1.5311  -10.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6899   -3.1830   -8.9767 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5620    0.6806   -8.2641 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 11  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 11 12  1  0  0  0  0
 11 41  1  0  0  0  0
 11 42  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  2  0  0  0  0
 13 14  2  0  0  0  0
 13 43  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 46  1  0  0  0  0
 17 18  2  0  0  0  0
 17 47  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
$$$$

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2026-04-13, 270👍, 0💬